Title: Computational Modeling of Electron Transport through Si- and C-Based Nanojunctions
Time: 15:10-16:10, Monday, 2021/10/25
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Using first-principles calculations based on density functional theory and non-equilibrium Green’s function formalism, we investigate the interfacial-dependent leakage currents in the Cu/α-cristobalite/Cu junctions and negative differential resistance (NDR) in the C70/C60 heterojunction nanowires on Si(110). Our results show that the oxygen-rich interfaces form the lowest-leakage-current junction under small bias voltages, followed by the silicon-rich and oxygen-poor ones. We also suggest that the experimentally observed NDR of C70/C60 heterojunction nanowires on Si(110) is mainly due to the bias-dependent transmission through the weakly-coupled C70 channels.